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	hartrees
Energy at 0K	-150.489182
Energy at 298.15K	-150.497124
HF Energy	-150.172822
Counterpoise corrected energy	-150.489182
CP Energy at 298.15K	-150.497124
Counterpoise optimized geometry corrected energy
CP opt. Energy at 298.15K
Nuclear repulsion energy	82.079212

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3537	3360	0.74
2	A₁	3101	2947	42.64
3	A₁	1753	1665	50.15
4	A₁	1547	1470	0.67
5	A₁	1087	1033	82.21
6	A₁	762	724	53.74
7	A₁	461	438	0.27
8	A₂	3662	3479	0.00
9	A₂	1427	1356	0.00
10	A₂	1082	1028	0.00
11	A₂	281	267	0.00
12	B₁	3662	3479	0.32
13	B₁	3163	3005	32.28
14	B₁	1397	1328	0.38
15	B₁	846	803	0.08
16	B₁	428	406	111.13
17	B₂	3539	3362	0.12
18	B₂	1742	1655	5.19
19	B₂	1436	1365	9.06
20	B₂	1080	1026	75.59
21	B₂	621	590	621.70

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.551
N2	0.000	1.274	-0.196
N3	0.000	-1.274	-0.196
H4	0.885	0.000	1.198
H5	-0.885	0.000	1.198
H6	0.841	1.444	-0.740
H7	-0.841	1.444	-0.740
H8	-0.841	-1.444	-0.740
H9	0.841	-1.444	-0.740

	C1	N2	N3	H4	H5	H6	H7	H8	H9
C1		1.4768	1.4768	1.0959	1.0959	2.1125	2.1125	2.1125	2.1125
N2	1.4768		2.5476	2.0851	2.0851	1.0166	1.0166	2.8971	2.8971
N3	1.4768	2.5476		2.0851	2.0851	2.8971	2.8971	1.0166	1.0166
H4	1.0959	2.0851	2.0851		1.7703	2.4174	2.9703	2.9703	2.4174
H5	1.0959	2.0851	2.0851	1.7703		2.9703	2.4174	2.4174	2.9703
H6	2.1125	1.0166	2.8971	2.4174	2.9703		1.6826	3.3432	2.8889
H7	2.1125	1.0166	2.8971	2.9703	2.4174	1.6826		2.8889	3.3432
H8	2.1125	2.8971	1.0166	2.9703	2.4174	3.3432	2.8889		1.6826
H9	2.1125	2.8971	1.0166	2.4174	2.9703	2.8889	3.3432	1.6826

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	114.570	C1	N2	H7	114.570
C1	N3	H8	114.570	C1	N3	H9	114.570
N2	C1	N3	119.206	N2	C1	H4	107.357
N2	C1	H5	107.357	N3	C1	H4	107.357
N3	C1	H5	107.357	H4	C1	H5	107.742
H6	N2	H7	111.707	H8	N3	H9	111.707

All results from a given calculation for NH₂CH₂NH₂ (diaminomethane)

using model chemistry: MP2=FULL/6-31G

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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All results from a given calculation for NH2CH2NH2 (diaminomethane)

using model chemistry: MP2=FULL/6-31G

States and conformations

All results from a given calculation for NH₂CH₂NH₂ (diaminomethane)